Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F70068394
bond_oxdna2_fene.h
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Jul 5, 03:12
Size
1 KB
Mime Type
text/x-c
Expires
Sun, Jul 7, 03:12 (2 d)
Engine
blob
Format
Raw Data
Handle
18713791
Attached To
rLAMMPS lammps
bond_oxdna2_fene.h
View Options
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef BOND_CLASS
BondStyle(oxdna2/fene,BondOxdna2Fene)
#else
#ifndef LMP_BOND_OXDNA2_FENE_H
#define LMP_BOND_OXDNA2_FENE_H
#include "bond_oxdna_fene.h"
namespace LAMMPS_NS {
class BondOxdna2Fene : public BondOxdnaFene {
public:
BondOxdna2Fene(class LAMMPS *);
virtual ~BondOxdna2Fene();
virtual void compute_interaction_sites(double *, double *, double *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
Two atoms in a FENE bond have become so far apart that the bond cannot
be computed.
E: Incorrect args for bond coefficients
Self-explanatory. Check the input script or data file.
W: Use special bonds = 0,1,1 with bond style oxdna
Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
*/
Event Timeline
Log In to Comment